Evaluation of two-electron repulsion integrals over Gaussian basis functions on SRC-6 reconfigurable computer

We demonstrate an implementation of the twoelectron repulsion integrals code for the direct selfconsistent field calculations on a reconfigurable computer. We analyze different strategies and optimization techniques necessary to port the code to SRC-6 reconfigurable computer and provide performance results for models using relatively uncontracted and highly contracted basis sets. Our implementation achieves an order of magnitude performance improvement over the conventional microprocessor system when using highly contracted basis sets and only a factor of 2 performance improvement for models that use relatively uncontracted basis sets. We also point out limitations of the SRC-6 reconfigurable computer that prevent using it for running ab initio quantum chemistry